LAMMPS stress/atom command

[youngjae142]

Hello,
I'm trying to calculate lattice thermal conductivity via the Green-Kubo relation implemented in LAMMPS.
However, I couldn't get a good value for the silicon crystal (diamond structure) at 300K, which should be 150 (W/mK).
The silicon potential seems well-trained by DFT(VASP), and phonon, radial distribution function, angular distribution function are consistent with DFT results. Green-Kubo script is tested by Ar LJ-potential.

So my questions are,

1. Is Deepmd-kit implemented (and validated) properly to use LAMMPS function, stress/atom virial ? ( i.e. s_i = -\sum_j[r_ij (cross_product) F_ij] where F_ij = -dE_i/dr_j )
2. Also, is it possible to calculate dE_i/dr_j with LAMMPS? (if not, other ways to get?) As I tried, the pair/local command is not working.

Thx!
Sincerely, YJ Choi.